(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide

C15H19ClN4O2 — CID 120834323

IUPAC(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C15H19ClN4O2/c1-9(2)14(17)15(21)18-8-13-19-12(20-22-13)7-10-5-3-4-6-11(10)16/h3-6,9,14H,7-8,17H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyPCDZVMHKOCNJBE-AWEZNQCLSA-N
MW322.80 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide

(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide (PubChem CID 120834323) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
PubChem CID120834323
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C15H19ClN4O2/c1-9(2)14(17)15(21)18-8-13-19-12(20-22-13)7-10-5-3-4-6-11(10)16/h3-6,9,14H,7-8,17H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyPCDZVMHKOCNJBE-AWEZNQCLSA-N
XLogP1.91
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide (CID 120834323) is (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCc1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The InChIKey is PCDZVMHKOCNJBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-9(2)14(17)15(21)18-8-13-19-12(20-22-13)7-10-5-3-4-6-11(10)16/h3-6,9,14H,7-8,17H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide has a molecular weight of 322.80 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 120834323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).